SCHEMBL4586472

SCHEMBL4586472

C=Cc1ccc2nccc(C(=O)O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
CYP19A1 P11511 1/20 0.43
TBK1 Q9UHD2 1/20 0.41
KDM4E B2RXH2 3/20 0.41
KDM5A P29375 8/20 0.41
KDM5B Q9UGL1 7/20 0.40
KDM4A O75164 2/20 0.40
RAB9A P51151 2/20 0.40
EGLN1 Q9GZT9 1/20 0.40
HIF1AN Q9NWT6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4C Q9H3R0 3/20 0.39
MCL1 Q07820 1/20 0.39
PSMD14 O00487 1/20 0.38
EPRS1 P07814 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4586321 0.86 LMNA (0.57) LMNACYP19A1KDM4EKDM5AKDM5B
SCHEMBL31584133 0.82 LMNA (0.48) LMNAKDM4EKDM5AL3MBTL1PSMD14
SCHEMBL22119781 0.82 LMNA (0.54) LMNAKDM4EKDM5AKDM5BKDM4A
SCHEMBL22119844 0.81 IP6K1 (0.53) LMNACYP19A1EPRS1MEN1ALDH1A1
SCHEMBL22119841 0.81 IP6K1 (0.53) LMNACYP19A1EPRS1MEN1ALDH1A1
SCHEMBL22189716 0.80 LMNA (0.51) LMNAKDM4CALDH1A1HPGD
SCHEMBL28700824 0.80 IP6K1 (0.52) LMNAKDM4EKDM5AKDM5BKDM4C
SCHEMBL29581022 0.80 IP6K1 (0.52) LMNAKDM4EKDM5AKDM5BKDM4C
SCHEMBL22189318 0.80 IP6K1 (0.52) LMNAKDM4EKDM5AKDM5BKDM4C
SCHEMBL22189718 0.80 LMNA (0.51) LMNAKDM4CALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2022-07-07 US disclosed
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2022-07-07 US disclosed
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases THE ROCKEFELLER UNIVERSITY (US) 2022-04-26 US disclosed
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases THE ROCKEFELLER UNIVERSITY (US) 2022-04-26 US disclosed
US-20200369677-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2020-11-26 US disclosed
US-20200369677-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2020-11-26 US disclosed
EP-3716972-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES The Rockefeller University (US) 2020-10-07 EP disclosed
CN-111670034-A Pyranopyrazoles and pyrazolopyridines immunomodulators for the treatment of autoimmune diseases 洛克菲勒大学 2020-09-15 CN disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200369677-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 LMNA 4467/4885CYP19A1 1051/4885TBK1 1787/4885
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases TFPI, TFPI2, SERPINC1 LMNA 4467/4885CYP19A1 1051/4885TBK1 1787/4885
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 LMNA 4467/4885CYP19A1 1051/4885TBK1 1787/4885
US-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 LMNA 1257/4885CYP19A1 4668/4885TBK1 1144/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.